CID 86774

18669-04-0

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

CCOC(C)OCC#C

InChI

InChI=1S/C7H12O2/c1-4-6-9-7(3)8-5-2/h1,7H,5-6H2,2-3H3

InChIKey

QKBBTQJLUGADEG-UHFFFAOYSA-N

Compound name

3-(1-ethoxyethoxy)prop-1-yne

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 30
Patents: 128.08372 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	129.09100	124.9
[M+Na]+	151.07294	135.1
[M+NH4]+	146.11754	129.2
[M+K]+	167.04688	127.2
[M-H]-	127.07644	116.5
[M+Na-2H]-	149.05839	126.2
[M]+	128.08317	123.0
[M]-	128.08427	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe